Geometry & MOs

Info

ID:	287888
PubChem CID:	104297497
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	0.03
Dipole, Da:	4.96
IP(EA), eV:	-9.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-3-methylphenyl)-2-methyl-4-phenylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C(C#N)C2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations